N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide

C19H23NO3 — CID 46885226

IUPACN-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide
SMILESCOc1ccc(OCc2ccccc2)c(CCCNC(C)=O)c1
InChIInChI=1S/C19H23NO3/c1-15(21)20-12-6-9-17-13-18(22-2)10-11-19(17)23-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,20,21)
InChIKeyZZVSKYNWAZXNJL-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.34
Rot. Bonds8

About N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide

N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide (PubChem CID 46885226) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide
PubChem CID46885226
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide
SMILESCOc1ccc(OCc2ccccc2)c(CCCNC(C)=O)c1
InChIInChI=1S/C19H23NO3/c1-15(21)20-12-6-9-17-13-18(22-2)10-11-19(17)23-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,20,21)
InChIKeyZZVSKYNWAZXNJL-UHFFFAOYSA-N
XLogP3.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide?
The IUPAC name of N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide (CID 46885226) is N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide.
What is the SMILES notation for N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide?
The canonical SMILES for N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide is COc1ccc(OCc2ccccc2)c(CCCNC(C)=O)c1.
What is the InChIKey of N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide?
The InChIKey is ZZVSKYNWAZXNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15(21)20-12-6-9-17-13-18(22-2)10-11-19(17)23-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide?
N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]acetamide is sourced from PubChem (CID 46885226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).